mqcomplab
MQ Lab software and projects
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- Fanpy Public
Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.
mqcomplab/Fanpy’s past year of commit activity - iSIM Public
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real number descriptors.
mqcomplab/iSIM’s past year of commit activity - iCliff Public
Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways
mqcomplab/iCliff’s past year of commit activity - esim Public
mqcomplab/esim’s past year of commit activity
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